4-[(4-methylcyclohexyl)oxymethyl]thiadiazol-5-amine

C10H17N3OS — CID 62193570

IUPAC4-[(4-methylcyclohexyl)oxymethyl]thiadiazol-5-amine
SMILESCC1CCC(OCc2nnsc2N)CC1
InChIInChI=1S/C10H17N3OS/c1-7-2-4-8(5-3-7)14-6-9-10(11)15-13-12-9/h7-8H,2-6,11H2,1H3
InChIKeyVGTHHLULSCLSRH-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.22
Rot. Bonds3

About 4-[(4-methylcyclohexyl)oxymethyl]thiadiazol-5-amine

4-[(4-methylcyclohexyl)oxymethyl]thiadiazol-5-amine (PubChem CID 62193570) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)oxymethyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)oxymethyl]thiadiazol-5-amine
PubChem CID62193570
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-[(4-methylcyclohexyl)oxymethyl]thiadiazol-5-amine
SMILESCC1CCC(OCc2nnsc2N)CC1
InChIInChI=1S/C10H17N3OS/c1-7-2-4-8(5-3-7)14-6-9-10(11)15-13-12-9/h7-8H,2-6,11H2,1H3
InChIKeyVGTHHLULSCLSRH-UHFFFAOYSA-N
XLogP2.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)oxymethyl]thiadiazol-5-amine?
The IUPAC name of 4-[(4-methylcyclohexyl)oxymethyl]thiadiazol-5-amine (CID 62193570) is 4-[(4-methylcyclohexyl)oxymethyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(4-methylcyclohexyl)oxymethyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(4-methylcyclohexyl)oxymethyl]thiadiazol-5-amine is CC1CCC(OCc2nnsc2N)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)oxymethyl]thiadiazol-5-amine?
The InChIKey is VGTHHLULSCLSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7-2-4-8(5-3-7)14-6-9-10(11)15-13-12-9/h7-8H,2-6,11H2,1H3.
What are the key properties of 4-[(4-methylcyclohexyl)oxymethyl]thiadiazol-5-amine?
4-[(4-methylcyclohexyl)oxymethyl]thiadiazol-5-amine has a molecular weight of 227.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)oxymethyl]thiadiazol-5-amine is sourced from PubChem (CID 62193570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).